BDBM11023 (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate; 2-hydroxybenzoic acid::Eserine::cid_657348::physostigmine.salicylic acid

SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C

InChI Key InChIKey=PIJVFDBKTWXHHD-UHFFFAOYSA-N

Data  1 KI  14 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 11023   

TargetAcetylcholinesterase(Human)
National Institutes of Health

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: 28nMpH: 8.0 T: 2°CAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/12/2006
Entry Details Article
PubMed
TargetCholinesterase(Human)
National Institutes of Health

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: 16nMAssay Description:The cholinesterase assays were performed using colorimetric method reported by Ellman. The absorbance changes at 412 nm were recorded for 5 min with ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/12/2006
Entry Details Article
PubMed
TargetGenome polyprotein(WNV)
University of Pittsburgh

Curated by PubChem BioAssay
LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: 5.00E+4nMAssay Description:The HTS assay to identify Inhibitors of West Nile Virus (WNV) NS2bNS3 Proteinase was proposed by Dr Alex Strongin of the Burnham Institute XO1-MH0776...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2011
Entry Details
PCBioAssay
TargetAcetylcholinesterase(Human)
National Institutes of Health

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: 40nMpH: 7.7Assay Description:The AChE inhibition activity was determined according to the Ellman's method with slight modifications. Total volume of the reaction mixture was ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2016
Entry Details Article
PubMed
TargetCholinesterase(Human)
National Institutes of Health

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: 850nMpH: 7.7Assay Description:The butyrylcholinesterase (BChE) inhibition activity was determined according to the Ellman's method with minor modifications. Total volume of th...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/17/2016
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
Gc University

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: 40nMpH: 7.7Assay Description:The AChE inhibition assay was performed according to the Ellman's method. Total volume of 100 µL reaction mixture contained 60 µL 50 mM Na2HPO4 b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2016
Entry Details Article
PubMed
TargetCholinesterase(Human)
National Institutes of Health

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: 850nMpH: 7.7Assay Description:The AChE inhibition assay was performed according to the Ellman's method. Total volume of 100 µL reaction mixture contained 60 µL 50 mM Na2HPO4 b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/4/2016
Entry Details Article
PubMed
TargetAcetylcholinesterase(Pacific electric ray)
Hazara University

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: 850nMpH: 7.7Assay Description:Total volume of the reaction mixture was 100 µL. It contained 60 µL Na2HPO4 buffer with concentration of 50 mM and pH 7.7. 10 µL test compound (0.5 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/20/2016
Entry Details Article
PubMed
TargetCholinesterase(Human)
National Institutes of Health

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: 40nMpH: 7.7Assay Description:Total volume of the reaction mixture was 100 µL containing 60 µL, Na2HPO4 buffer, 50 mM and pH 7.7. Ten µL test compound 0.5 mM well-1 was added foll...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/20/2016
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
National Institutes of Health

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: 14nMAssay Description:Inhibition of acetylcholinesterase (AChE) of human erythrocytesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2012
Entry Details Article
PubMed
TargetCholinesterase(Human)
National Institutes of Health

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: 23nMAssay Description:Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)]More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2012
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptakeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetBile salt export pump(Rat)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/8/2016
Entry Details Article
PubMed
TargetAcetylcholinesterase(Pacific electric ray)
Hazara University

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataIC50: 21.3nMAssay Description:Inhibition of Torpedo california AChE by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
Gc University

LigandPNGBDBM11023((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...)
Affinity DataKi:  210nMAssay Description:Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed